5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile

C13H19N5 — CID 102796047

IUPAC5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(NCC2CC2)nn(C2CCCC2)c1N
InChIInChI=1S/C13H19N5/c14-7-11-12(15)18(10-3-1-2-4-10)17-13(11)16-8-9-5-6-9/h9-10H,1-6,8,15H2,(H,16,17)
InChIKeyARVXHKNAEYZNFN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds4

About 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile

5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile (PubChem CID 102796047) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
PubChem CID102796047
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(NCC2CC2)nn(C2CCCC2)c1N
InChIInChI=1S/C13H19N5/c14-7-11-12(15)18(10-3-1-2-4-10)17-13(11)16-8-9-5-6-9/h9-10H,1-6,8,15H2,(H,16,17)
InChIKeyARVXHKNAEYZNFN-UHFFFAOYSA-N
XLogP2.27
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile (CID 102796047) is 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile is N#Cc1c(NCC2CC2)nn(C2CCCC2)c1N.
What is the InChIKey of 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
The InChIKey is ARVXHKNAEYZNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-7-11-12(15)18(10-3-1-2-4-10)17-13(11)16-8-9-5-6-9/h9-10H,1-6,8,15H2,(H,16,17).
What are the key properties of 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).